2-[[4-cyano-3-[2-oxidanylidene-2-(pyridin-2-ylamino)ethyl]sulfanyl-1,2-thiazol-5-yl]sulfanyl]-N-pyridin-2-yl-ethanamide

Systemtic Name: 2-[[4-cyano-3-[2-oxidanylidene-2-(pyridin-2-ylamino)ethyl]sulfanyl-1,2-thiazol-5-yl]sulfanyl]-N-pyridin-2-yl-ethanamide Openeye Name: 2-[4-cyano-3-[2-oxo-2-(2-pyridylamino)ethyl]sulfanyl-isothiazol-5-yl]sulfanyl-N-(2-pyridyl)acetamide CAS Name: 2-[[4-cyano-3-[[2-oxo-2-(2-pyridinylamino)ethyl]thio]-5-isothiazolyl]thio]-N-(2-pyridinyl)acetamide IUPAC Name: 2-[[4-cyano-3-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanyl-1,2-thiazol-5-yl]sulfanyl]-N-pyridin-2-ylacetamide Traditional Name: 2-[[4-cyano-3-[[2-keto-2-(2-pyridylamino)ethyl]thio]isothiazol-5-yl]thio]-N-(2-pyridyl)acetamide Formula: C18H14N6O2S3 MolecularWeight: 442.53776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NC(=O)CSC2=C(C(=NS2)SCC(=O)NC3=CC=CC=N3)C#N

Isomeric SMILES

C1=CC=NC(=C1)NC(=O)CSC2=C(C(=NS2)SCC(=O)NC3=CC=CC=N3)C#N

InChI

InChI=1S/C18H14N6O2S3/c19-9-12-17(27-10-15(25)22-13-5-1-3-7-20-13)24-29-18(12)28-11-16(26)23-14-6-2-4-8-21-14/h1-8H,10-11H2,(H,20,22,25)(H,21,23,26)